==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE ACTIVATOR 06-SEP-13 4MLE . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.C.VOEGTLI . 448 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 1 1 1 2 1 0 1 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 14 A T > 0 0 122 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -25.3 25.3 -33.7 76.3 2 15 A L H > + 0 0 110 1,-0.2 4,-0.6 2,-0.2 299,-0.0 0.782 360.0 34.9 -62.1 -27.0 21.6 -33.4 75.5 3 16 A V H > S+ 0 0 13 2,-0.2 4,-2.7 3,-0.1 5,-0.3 0.801 114.5 57.1 -92.3 -38.4 21.9 -29.7 76.4 4 17 A E H > S+ 0 0 72 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.680 102.2 58.2 -65.5 -17.5 25.4 -29.5 75.1 5 18 A Q H < S+ 0 0 140 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.883 109.5 42.0 -77.7 -42.7 24.0 -30.6 71.7 6 19 A I H >< S+ 0 0 11 -4,-0.6 3,-1.5 -3,-0.2 -2,-0.2 0.970 119.4 43.7 -67.3 -54.3 21.6 -27.7 71.5 7 20 A L H >< S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.3 4,-0.3 0.752 99.1 70.9 -64.5 -25.0 24.2 -25.2 72.7 8 21 A A G >< S+ 0 0 34 -4,-1.0 3,-1.4 1,-0.3 -1,-0.3 0.742 81.8 78.8 -64.7 -16.9 26.9 -26.6 70.5 9 22 A E G < S+ 0 0 78 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.679 85.7 57.8 -63.2 -19.9 24.9 -25.1 67.7 10 23 A F G < S+ 0 0 5 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.608 82.2 111.3 -87.5 -11.1 26.3 -21.6 68.6 11 24 A Q < - 0 0 115 -3,-1.4 2,-0.4 -4,-0.3 353,-0.0 -0.316 48.3-166.1 -67.7 145.0 29.9 -22.7 68.1 12 25 A L - 0 0 25 -2,-0.0 2,-0.1 4,-0.0 -2,-0.0 -1.000 13.6-137.2-132.9 127.6 31.9 -21.3 65.2 13 26 A Q >> - 0 0 112 -2,-0.4 4,-1.9 1,-0.1 3,-1.2 -0.476 30.1-105.0 -82.6 156.8 35.2 -22.8 64.1 14 27 A E H 3> S+ 0 0 67 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.879 123.8 55.3 -46.3 -41.9 38.2 -20.7 63.1 15 28 A E H 3> S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.853 105.0 52.1 -63.7 -34.2 37.4 -21.6 59.5 16 29 A D H <> S+ 0 0 51 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.870 109.5 49.5 -68.7 -38.0 33.9 -20.2 59.9 17 30 A L H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.895 109.3 51.6 -68.0 -39.9 35.1 -16.9 61.3 18 31 A K H X S+ 0 0 70 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.897 108.0 51.7 -63.9 -40.0 37.7 -16.5 58.4 19 32 A K H X S+ 0 0 95 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.932 112.0 47.2 -61.1 -43.7 34.9 -17.1 55.9 20 33 A V H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.910 112.5 49.6 -63.6 -43.4 32.9 -14.4 57.7 21 34 A M H X S+ 0 0 19 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.934 111.6 48.1 -61.4 -47.5 36.0 -12.1 57.7 22 35 A R H X S+ 0 0 124 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.872 112.3 50.3 -61.9 -35.3 36.6 -12.7 54.0 23 36 A R H X S+ 0 0 96 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.886 106.1 53.2 -72.4 -39.1 33.0 -12.0 53.3 24 37 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.887 108.7 52.9 -61.4 -38.2 32.8 -8.7 55.2 25 38 A Q H X S+ 0 0 38 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.875 106.3 51.6 -64.9 -38.1 35.8 -7.6 53.2 26 39 A K H X S+ 0 0 126 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.871 112.8 45.9 -66.4 -38.0 34.1 -8.4 50.0 27 40 A E H X S+ 0 0 7 -4,-2.0 4,-2.8 2,-0.2 15,-0.2 0.861 107.0 57.1 -74.4 -35.9 31.1 -6.3 51.1 28 41 A M H X S+ 0 0 2 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.880 109.5 47.1 -61.4 -35.6 33.2 -3.4 52.3 29 42 A D H X S+ 0 0 44 -4,-1.6 4,-1.2 2,-0.2 3,-0.3 0.885 110.6 52.2 -73.2 -39.1 34.7 -3.2 48.8 30 43 A R H >< S+ 0 0 49 -4,-1.6 3,-0.7 1,-0.2 6,-0.4 0.941 106.9 51.1 -63.7 -47.6 31.2 -3.4 47.2 31 44 A G H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 109.6 54.1 -62.1 -21.4 29.8 -0.6 49.3 32 45 A L H 3< S+ 0 0 4 -4,-0.8 197,-1.0 -3,-0.3 198,-0.6 0.738 91.5 82.0 -84.6 -25.9 32.8 1.6 48.3 33 46 A R S XX S- 0 0 95 -4,-1.2 4,-2.5 -3,-0.7 3,-1.1 -0.597 78.2-131.7 -83.1 142.7 32.5 1.2 44.5 34 47 A L T 34 S+ 0 0 105 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.880 103.7 59.2 -59.8 -38.0 30.1 3.5 42.6 35 48 A E T 34 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.656 122.0 19.1 -68.9 -17.5 28.7 0.5 40.7 36 49 A T T X> S+ 0 0 27 -3,-1.1 4,-1.0 -6,-0.4 3,-0.9 0.536 91.3 100.3-126.5 -12.3 27.6 -1.5 43.7 37 50 A H T 3< S+ 0 0 38 -4,-2.5 -3,-0.1 1,-0.2 -2,-0.1 0.717 82.7 59.1 -47.6 -23.8 27.3 1.1 46.5 38 51 A E T 34 S+ 0 0 170 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.906 116.6 25.5 -77.7 -43.5 23.6 1.2 45.9 39 52 A E T <4 S+ 0 0 112 -3,-0.9 2,-0.3 -4,-0.1 -2,-0.2 0.233 93.4 123.1-105.2 14.7 22.6 -2.4 46.5 40 53 A A < - 0 0 8 -4,-1.0 3,-0.1 -10,-0.2 -13,-0.0 -0.574 55.1-149.5 -75.4 135.2 25.6 -3.1 48.8 41 54 A S S S+ 0 0 10 -2,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.763 91.4 59.5 -78.6 -27.1 24.5 -4.4 52.2 42 55 A V S S- 0 0 0 -15,-0.2 -11,-0.2 1,-0.2 -1,-0.2 -0.835 80.3-161.1-102.9 92.9 27.5 -2.8 54.0 43 56 A K - 0 0 30 -2,-1.0 200,-0.2 200,-0.4 -1,-0.2 0.723 3.7-156.9 -48.5 -34.7 26.9 0.8 53.0 44 57 A M - 0 0 4 198,-1.4 198,-0.3 1,-0.2 199,-0.1 0.972 21.1-157.8 49.8 61.3 30.4 2.1 53.7 45 58 A L E -A 241 0A 5 196,-2.9 196,-2.9 1,-0.1 -1,-0.2 -0.600 14.9-122.7 -79.4 119.8 29.1 5.7 54.1 46 59 A P E -A 240 0A 14 0, 0.0 97,-0.7 0, 0.0 194,-0.2 -0.381 23.7-170.5 -60.2 132.8 31.4 8.7 53.6 47 60 A T E - 0 0 8 192,-1.9 142,-0.1 2,-0.2 193,-0.1 0.553 28.1-132.1-101.5 -14.1 31.5 10.7 56.9 48 61 A Y E + 0 0 50 191,-0.5 2,-0.7 1,-0.3 98,-0.2 0.309 63.3 132.2 75.8 -6.1 33.4 13.7 55.6 49 62 A V E - 0 0 16 190,-0.2 190,-2.6 96,-0.1 -1,-0.3 -0.673 50.5-147.7 -74.9 118.6 35.7 13.7 58.6 50 63 A R E -A 238 0A 117 -2,-0.7 188,-0.2 188,-0.2 186,-0.1 -0.528 19.5-113.7-100.9 163.2 39.1 14.0 56.9 51 64 A S S S+ 0 0 52 186,-3.0 187,-0.1 1,-0.2 -1,-0.1 0.932 103.6 21.4 -47.6 -69.8 42.7 12.9 57.3 52 65 A T S S- 0 0 107 185,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.840 77.4-159.2-115.7 99.4 44.4 16.2 57.8 53 66 A P - 0 0 62 0, 0.0 3,-0.1 0, 0.0 390,-0.0 -0.395 20.9-124.8 -73.5 147.1 42.2 19.1 59.1 54 67 A E S S- 0 0 150 1,-0.2 2,-0.3 388,-0.1 388,-0.0 0.954 71.8 -44.9 -56.3 -60.6 43.2 22.7 58.7 55 68 A G - 0 0 23 387,-0.2 390,-0.3 386,-0.0 -1,-0.2 -0.925 52.2-112.5-175.2 150.9 43.0 23.9 62.3 56 69 A S - 0 0 15 -2,-0.3 2,-0.3 -3,-0.1 386,-0.2 -0.044 17.9-133.8 -80.1-173.7 40.8 23.7 65.4 57 70 A E - 0 0 65 22,-0.1 21,-0.1 2,-0.1 387,-0.1 -0.785 24.1-139.6-146.3 92.1 38.8 26.4 67.2 58 71 A V + 0 0 89 -2,-0.3 21,-0.2 19,-0.1 2,-0.2 -0.065 52.7 78.6 -53.2 154.4 39.3 26.4 71.0 59 72 A G E S-F 78 0B 25 19,-2.9 19,-2.6 2,-0.0 2,-0.3 -0.682 80.6 -43.4 133.9 172.6 36.3 27.0 73.2 60 73 A D E -F 77 0B 55 17,-0.2 2,-0.3 -2,-0.2 17,-0.3 -0.589 52.1-170.2 -78.6 132.7 33.2 25.5 74.8 61 74 A F E -F 76 0B 5 15,-3.8 15,-2.8 -2,-0.3 2,-0.4 -0.918 19.5-131.6-123.3 149.8 31.0 23.4 72.5 62 75 A L E -Fg 75 133B 1 70,-2.6 72,-3.3 -2,-0.3 2,-0.4 -0.843 26.6-165.8 -99.3 135.8 27.5 21.9 73.0 63 76 A S E -Fg 74 134B 0 11,-2.7 11,-2.0 -2,-0.4 2,-0.3 -0.980 7.4-163.3-127.7 136.3 27.2 18.3 72.1 64 77 A L E -Fg 73 135B 0 70,-3.1 72,-2.7 -2,-0.4 2,-0.3 -0.826 0.5-165.3-112.6 154.5 24.1 16.1 71.6 65 78 A D E +Fg 72 136B 15 7,-1.8 7,-2.1 -2,-0.3 2,-0.4 -0.858 14.0 166.9-144.0 104.5 23.9 12.4 71.6 66 79 A L E + g 0 137B 2 70,-2.4 72,-2.5 -2,-0.3 3,-0.1 -0.974 50.3 68.5-119.3 131.9 20.8 10.6 70.2 67 80 A G S S+ 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.139 79.3 81.7 148.7 -21.7 20.8 6.9 69.5 68 81 A G S S- 0 0 29 -3,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.072 98.2 -91.2 -88.6-154.7 21.0 5.3 72.9 69 82 A T S S+ 0 0 112 1,-0.2 28,-0.9 -3,-0.1 2,-0.4 0.522 116.7 51.0 -97.5 -8.2 18.1 4.7 75.2 70 83 A N E S- H 0 96B 32 26,-0.2 -1,-0.2 -5,-0.0 26,-0.2 -0.884 81.7-139.4-135.7 102.2 18.8 8.1 76.8 71 84 A F E - H 0 95B 3 24,-1.0 24,-2.4 -2,-0.4 2,-0.3 -0.308 30.3-158.1 -55.9 139.7 19.1 11.2 74.8 72 85 A R E -FH 65 94B 41 -7,-2.1 -7,-1.8 22,-0.2 2,-0.4 -0.958 20.6-168.7-132.0 148.4 22.0 13.3 76.2 73 86 A V E +FH 64 93B 0 20,-2.1 20,-1.9 -2,-0.3 2,-0.3 -0.987 19.5 164.6-129.0 138.0 23.2 16.9 76.2 74 87 A M E -FH 63 92B 0 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.6 -0.998 33.5-129.1-156.3 153.9 26.6 18.2 77.4 75 88 A L E -FH 62 91B 5 16,-2.8 15,-3.4 -2,-0.3 16,-1.3 -0.890 29.0-177.8-104.0 123.2 29.0 21.0 77.4 76 89 A V E -FH 61 89B 0 -15,-2.8 -15,-3.8 -2,-0.6 2,-0.5 -0.964 17.5-141.0-125.1 142.5 32.6 20.2 76.4 77 90 A K E -F 60 0B 72 11,-2.0 11,-0.5 -2,-0.4 2,-0.5 -0.881 12.2-158.0-104.6 125.9 35.6 22.5 76.3 78 91 A V E +F 59 0B 2 -19,-2.6 -19,-2.9 -2,-0.5 9,-0.2 -0.874 21.1 159.2-105.6 130.3 38.2 22.2 73.5 79 92 A G - 0 0 4 7,-1.4 2,-0.4 -2,-0.5 7,-0.2 -0.367 34.0-100.8-125.8-152.9 41.7 23.5 74.0 80 93 A E + 0 0 143 5,-0.3 5,-0.3 -2,-0.1 2,-0.2 -0.967 33.3 164.8-147.7 127.6 45.1 23.0 72.4 81 94 A G - 0 0 33 3,-4.7 5,-0.0 -2,-0.4 0, 0.0 -0.512 53.6 -89.7-122.4-168.2 48.2 21.0 73.5 82 95 A E S S+ 0 0 197 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.968 126.5 49.7 -68.6 -55.0 51.4 19.8 71.8 83 96 A E S S- 0 0 93 1,-0.1 2,-0.2 119,-0.1 -1,-0.1 0.956 128.5 -86.5 -41.2 -74.5 49.7 16.5 70.8 84 97 A G S S- 0 0 17 118,-0.1 -3,-4.7 1,-0.0 2,-0.3 -0.545 76.3 -17.7-165.9-126.2 46.7 18.3 69.3 85 98 A Q - 0 0 13 -5,-0.3 -5,-0.3 -2,-0.2 2,-0.2 -0.695 54.2-148.0-100.6 152.8 43.5 19.5 71.0 86 99 A W - 0 0 108 -2,-0.3 -7,-1.4 -7,-0.2 2,-0.3 -0.658 14.3-169.8-109.7 171.6 42.2 18.4 74.3 87 100 A S + 0 0 14 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.983 7.9 178.6-157.4 157.9 38.5 18.1 75.3 88 101 A V - 0 0 64 -11,-0.5 -11,-2.0 -2,-0.3 2,-0.1 -0.859 31.3-119.9-168.8 129.8 36.4 17.5 78.4 89 102 A K E +H 76 0B 65 -2,-0.3 -13,-0.3 -13,-0.2 3,-0.1 -0.504 31.5 172.0 -68.1 139.3 32.8 17.3 79.4 90 103 A T E + 0 0 60 -15,-3.4 2,-0.3 1,-0.5 -14,-0.2 0.563 67.2 16.8-121.0 -24.8 32.1 20.0 82.0 91 104 A K E +H 75 0B 87 -16,-1.3 -16,-2.8 2,-0.0 -1,-0.5 -0.987 68.4 167.8-150.8 140.9 28.3 19.7 82.2 92 105 A H E -H 74 0B 98 -2,-0.3 2,-0.3 -18,-0.3 -18,-0.2 -0.981 11.1-174.2-152.0 162.1 25.9 17.0 81.2 93 106 A Q E -H 73 0B 73 -20,-1.9 -20,-2.1 -2,-0.3 2,-0.3 -0.952 13.8-144.3-161.3 138.5 22.3 15.8 81.5 94 107 A M E -H 72 0B 95 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.2 -0.812 10.1-164.7-108.4 148.8 20.3 12.8 80.5 95 108 A Y E -H 71 0B 18 -24,-2.4 -24,-1.0 -2,-0.3 -2,-0.0 -0.953 19.9-127.1-137.4 117.5 16.7 12.6 79.4 96 109 A S E -H 70 0B 92 -2,-0.4 -26,-0.2 -26,-0.2 -27,-0.0 -0.244 28.8-117.5 -58.7 145.9 14.5 9.5 79.1 97 110 A I - 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